iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate

C14H24INO3 — CID 144908622

IUPACiodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
SMILESCC1CCC(C(=O)NCCCCCC(=O)OI)CC1
InChIInChI=1S/C14H24INO3/c1-11-6-8-12(9-7-11)14(18)16-10-4-2-3-5-13(17)19-15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeySYOGHBNHFTYNDS-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.38
Rot. Bonds7

About iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate

iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate (PubChem CID 144908622) has the molecular formula C14H24INO3 and a molecular weight of 381.25 g/mol. Its IUPAC name is iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate.

Molecular Properties

Compound Nameiodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
PubChem CID144908622
Molecular FormulaC14H24INO3
Molecular Weight381.25 g/mol
Exact Mass381.08
IUPAC Nameiodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
SMILESCC1CCC(C(=O)NCCCCCC(=O)OI)CC1
InChIInChI=1S/C14H24INO3/c1-11-6-8-12(9-7-11)14(18)16-10-4-2-3-5-13(17)19-15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeySYOGHBNHFTYNDS-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
CID 153224944
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907

Frequently Asked Questions

What is the IUPAC name of iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate?
The IUPAC name of iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate (CID 144908622) is iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate.
What is the SMILES notation for iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate?
The canonical SMILES for iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate is CC1CCC(C(=O)NCCCCCC(=O)OI)CC1.
What is the InChIKey of iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate?
The InChIKey is SYOGHBNHFTYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24INO3/c1-11-6-8-12(9-7-11)14(18)16-10-4-2-3-5-13(17)19-15/h11-12H,2-10H2,1H3,(H,16,18).
What are the key properties of iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate?
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate has a molecular weight of 381.25 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate is sourced from PubChem (CID 144908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).